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Manganese in PDB 1wao: PP5 Structure

Enzymatic activity of PP5 Structure

All present enzymatic activity of PP5 Structure:
3.1.3.16;

Protein crystallography data

The structure of PP5 Structure, PDB code: 1wao was solved by D.Barford, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.78 / 2.9
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.740, 117.540, 200.410, 90.00, 93.79, 90.00
R / Rfree (%) 24.7 / 29

Manganese Binding Sites:

The binding sites of Manganese atom in the PP5 Structure (pdb code 1wao). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 8 binding sites of Manganese where determined in the PP5 Structure, PDB code: 1wao:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Manganese binding site 1 out of 8 in 1wao

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Manganese binding site 1 out of 8 in the PP5 Structure


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of PP5 Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Mn601

b:85.4
occ:1.00
OD1 1:ASN303 2.2 61.9 1.0
NE2 1:HIS352 2.4 42.7 1.0
ND1 1:HIS427 2.6 58.7 1.0
OD2 1:ASP271 2.7 52.8 1.0
CG 1:ASN303 3.0 62.5 1.0
CE1 1:HIS352 3.2 45.2 1.0
ND2 1:ASN303 3.2 62.0 1.0
CE1 1:HIS427 3.2 58.4 1.0
CG 1:ASP271 3.5 53.1 1.0
CD2 1:HIS352 3.5 48.3 1.0
CG 1:HIS427 3.6 54.8 1.0
MN 1:MN602 3.6 0.1 1.0
OD1 1:ASP271 3.7 53.1 1.0
OD2 1:ASP242 3.7 55.6 1.0
CA 1:HIS427 3.7 48.0 1.0
O 1:HIS427 3.9 44.0 1.0
CB 1:HIS427 4.1 52.0 1.0
CD2 1:HIS304 4.2 57.0 1.0
C 1:HIS427 4.3 45.7 1.0
NE2 1:HIS427 4.3 58.3 1.0
ND1 1:HIS352 4.4 45.8 1.0
CD2 1:HIS427 4.5 56.4 1.0
CB 1:ASN303 4.5 59.5 1.0
CG 1:HIS352 4.6 47.1 1.0
N 1:HIS427 4.7 46.6 1.0
CB 1:ASP271 4.7 50.7 1.0
N 1:ASN303 4.8 55.2 1.0
NE2 1:HIS304 4.8 57.1 1.0
CG 1:ASP242 4.9 53.5 1.0
O 1:LEU385 5.0 59.3 1.0

Manganese binding site 2 out of 8 in 1wao

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Manganese binding site 2 out of 8 in the PP5 Structure


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of PP5 Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Mn602

b:0.1
occ:1.00
NE2 1:HIS244 2.1 55.2 1.0
OD2 1:ASP271 2.8 52.8 1.0
OD2 1:ASP242 2.9 55.6 1.0
CE1 1:HIS244 3.1 52.2 1.0
CD2 1:HIS244 3.1 52.4 1.0
OH 1:TYR451 3.4 46.4 1.0
MN 1:MN601 3.6 85.4 1.0
CG 1:ASP242 3.9 53.5 1.0
NH1 1:ARG275 4.0 75.0 1.0
CG 1:ASP271 4.0 53.1 1.0
OE1 1:GLU76 4.2 76.3 1.0
CZ 1:TYR451 4.2 46.2 1.0
ND1 1:HIS244 4.2 51.7 1.0
CG 1:HIS244 4.3 52.5 1.0
CD2 1:HIS304 4.4 57.0 1.0
CB 1:ASP242 4.4 50.5 1.0
NE2 1:HIS304 4.5 57.1 1.0
CE1 1:PHE446 4.6 46.0 1.0
O 1:HIS427 4.6 44.0 1.0
CE2 1:TYR451 4.6 44.6 1.0
CB 1:ASP271 4.7 50.7 1.0
CZ 1:PHE446 4.9 43.6 1.0
OD1 1:ASP242 4.9 54.1 1.0
OD1 1:ASP271 5.0 53.1 1.0

Manganese binding site 3 out of 8 in 1wao

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Manganese binding site 3 out of 8 in the PP5 Structure


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of PP5 Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
2:Mn601

b:0.1
occ:1.00
NE2 2:HIS352 2.2 87.7 1.0
OD1 2:ASN303 2.4 0.7 1.0
OD2 2:ASP271 2.6 92.1 1.0
ND1 2:HIS427 2.6 72.1 1.0
MN 2:MN602 2.7 0.3 1.0
CE1 2:HIS352 2.9 87.9 1.0
CG 2:ASP271 3.2 92.5 1.0
CG 2:ASN303 3.3 0.6 1.0
CE1 2:HIS427 3.3 71.3 1.0
OD1 2:ASP271 3.4 93.1 1.0
CD2 2:HIS352 3.4 87.9 1.0
OD2 2:ASP242 3.5 88.6 1.0
CA 2:HIS427 3.6 70.9 1.0
ND2 2:ASN303 3.6 0.4 1.0
CG 2:HIS427 3.6 72.1 1.0
O 2:HIS427 3.8 69.5 1.0
CB 2:HIS427 4.1 71.7 1.0
C 2:HIS427 4.1 70.2 1.0
ND1 2:HIS352 4.1 89.0 1.0
CD2 2:HIS304 4.2 99.8 1.0
CG 2:HIS352 4.4 88.2 1.0
CB 2:ASP271 4.5 92.0 1.0
NE2 2:HIS427 4.5 71.7 1.0
N 2:HIS427 4.5 70.1 1.0
CG 2:ASP242 4.6 87.7 1.0
CD2 2:HIS427 4.6 72.2 1.0
CB 2:ASN303 4.7 0.5 1.0
OD1 2:ASP242 4.9 89.1 1.0
NE2 2:HIS244 4.9 79.9 1.0
N 2:ASN303 4.9 0.3 1.0
NE2 2:HIS304 4.9 99.7 1.0

Manganese binding site 4 out of 8 in 1wao

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Manganese binding site 4 out of 8 in the PP5 Structure


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of PP5 Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
2:Mn602

b:0.3
occ:1.00
OD2 2:ASP271 2.4 92.1 1.0
NE2 2:HIS244 2.6 79.9 1.0
MN 2:MN601 2.7 0.1 1.0
OD2 2:ASP242 2.7 88.6 1.0
CE1 2:HIS244 3.4 78.5 1.0
CG 2:ASP271 3.7 92.5 1.0
CD2 2:HIS244 3.8 81.0 1.0
CG 2:ASP242 3.9 87.7 1.0
CD2 2:HIS304 4.0 99.8 1.0
O 2:HIS427 4.0 69.5 1.0
OH 2:TYR451 4.1 84.3 1.0
NH1 2:ARG275 4.2 89.9 1.0
NE2 2:HIS304 4.2 99.7 1.0
OE1 2:GLU76 4.4 81.6 1.0
OD1 2:ASP271 4.5 93.1 1.0
CB 2:ASP271 4.5 92.0 1.0
NE2 2:HIS352 4.5 87.7 1.0
OD1 2:ASN303 4.6 0.7 1.0
C 2:HIS427 4.6 70.2 1.0
ND1 2:HIS244 4.6 79.8 1.0
CE1 2:HIS352 4.6 87.9 1.0
CB 2:ASP242 4.7 86.8 1.0
CA 2:HIS427 4.7 70.9 1.0
OD1 2:ASP242 4.8 89.1 1.0
CG 2:HIS244 4.8 80.9 1.0
ND1 2:HIS427 4.9 72.1 1.0
CE1 2:PHE446 5.0 66.2 1.0
CZ 2:TYR451 5.0 84.1 1.0

Manganese binding site 5 out of 8 in 1wao

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Manganese binding site 5 out of 8 in the PP5 Structure


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of PP5 Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
3:Mn601

b:0.7
occ:1.00
NE2 3:HIS352 2.6 0.2 1.0
OD2 3:ASP271 2.6 91.1 1.0
MN 3:MN602 2.7 0.2 1.0
OD1 3:ASN303 2.7 0.9 1.0
ND1 3:HIS427 2.7 97.0 1.0
CE1 3:HIS352 3.2 0.4 1.0
CG 3:ASP271 3.3 93.0 1.0
OD2 3:ASP242 3.4 89.4 1.0
CE1 3:HIS427 3.4 96.8 1.0
CG 3:ASN303 3.5 0.9 1.0
OD1 3:ASP271 3.5 93.3 1.0
CA 3:HIS427 3.6 92.7 1.0
CG 3:HIS427 3.7 96.3 1.0
ND2 3:ASN303 3.7 0.3 1.0
O 3:HIS427 3.7 90.8 1.0
CD2 3:HIS352 3.8 0.7 1.0
C 3:HIS427 4.1 91.6 1.0
CB 3:HIS427 4.1 94.2 1.0
CD2 3:HIS304 4.2 0.6 1.0
ND1 3:HIS352 4.4 0.2 1.0
CG 3:ASP242 4.5 88.0 1.0
NE2 3:HIS427 4.5 96.4 1.0
N 3:HIS427 4.6 93.0 1.0
CB 3:ASP271 4.6 93.7 1.0
CD2 3:HIS427 4.6 96.8 1.0
NE2 3:HIS244 4.7 88.5 1.0
CG 3:HIS352 4.7 0.9 1.0
NE2 3:HIS304 4.8 0.1 1.0
OD1 3:ASP242 4.9 88.0 1.0
CB 3:ASN303 4.9 0.8 1.0

Manganese binding site 6 out of 8 in 1wao

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Manganese binding site 6 out of 8 in the PP5 Structure


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of PP5 Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
3:Mn602

b:0.2
occ:1.00
NE2 3:HIS244 2.4 88.5 1.0
OD2 3:ASP271 2.6 91.1 1.0
MN 3:MN601 2.7 0.7 1.0
OD2 3:ASP242 2.9 89.4 1.0
CE1 3:HIS244 3.1 89.2 1.0
CD2 3:HIS244 3.6 87.8 1.0
OH 3:TYR451 3.6 85.7 1.0
CG 3:ASP271 3.8 93.0 1.0
CD2 3:HIS304 3.9 0.6 1.0
NH1 3:ARG275 3.9 0.7 1.0
CG 3:ASP242 4.1 88.0 1.0
NE2 3:HIS304 4.1 0.1 1.0
OE1 3:GLU76 4.3 0.8 1.0
ND1 3:HIS244 4.4 88.0 1.0
O 3:HIS427 4.4 90.8 1.0
CZ 3:TYR451 4.6 86.8 1.0
CB 3:ASP271 4.6 93.7 1.0
CG 3:HIS244 4.6 86.0 1.0
OD1 3:ASP271 4.7 93.3 1.0
OE2 3:GLU76 4.7 0.0 1.0
CB 3:ASP242 4.8 86.7 1.0
OD1 3:ASN303 4.8 0.9 1.0
NE2 3:HIS352 4.9 0.2 1.0
C 3:HIS427 4.9 91.6 1.0
CE1 3:HIS352 5.0 0.4 1.0
CD 3:GLU76 5.0 0.7 1.0
OD1 3:ASP242 5.0 88.0 1.0

Manganese binding site 7 out of 8 in 1wao

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Manganese binding site 7 out of 8 in the PP5 Structure


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of PP5 Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
4:Mn601

b:93.1
occ:1.00
NE2 4:HIS352 2.2 54.0 1.0
OD1 4:ASN303 2.4 66.8 1.0
ND1 4:HIS427 2.5 63.0 1.0
OD2 4:ASP271 2.8 49.4 1.0
CE1 4:HIS352 2.8 55.8 1.0
MN 4:MN602 3.0 0.4 1.0
CE1 4:HIS427 3.3 61.2 1.0
CD2 4:HIS352 3.4 56.7 1.0
CG 4:ASP271 3.4 55.3 1.0
CG 4:ASN303 3.4 65.0 1.0
CA 4:HIS427 3.4 53.5 1.0
CG 4:HIS427 3.5 61.6 1.0
OD2 4:ASP242 3.5 64.5 1.0
OD1 4:ASP271 3.6 51.8 1.0
ND2 4:ASN303 3.7 65.1 1.0
O 4:HIS427 3.7 56.4 1.0
CB 4:HIS427 3.8 57.8 1.0
C 4:HIS427 4.0 54.4 1.0
ND1 4:HIS352 4.1 57.3 1.0
CG 4:HIS352 4.3 56.6 1.0
N 4:HIS427 4.4 52.4 1.0
NE2 4:HIS427 4.4 61.8 1.0
CD2 4:HIS304 4.4 72.4 1.0
CD2 4:HIS427 4.5 62.4 1.0
CG 4:ASP242 4.6 61.7 1.0
CB 4:ASP271 4.6 58.4 1.0
CB 4:ASN303 4.7 63.9 1.0
OD1 4:ASP242 4.8 61.5 1.0
N 4:ASN303 4.9 62.1 1.0

Manganese binding site 8 out of 8 in 1wao

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Manganese binding site 8 out of 8 in the PP5 Structure


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of PP5 Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
4:Mn602

b:0.4
occ:1.00
OD2 4:ASP271 2.8 49.4 1.0
NE2 4:HIS244 2.9 60.4 1.0
MN 4:MN601 3.0 93.1 1.0
OE1 4:GLU76 3.3 73.6 1.0
CE1 4:HIS244 3.4 58.4 1.0
OD2 4:ASP242 3.5 64.5 1.0
NH1 4:ARG275 3.7 76.3 1.0
CD2 4:HIS304 3.7 72.4 1.0
NE2 4:HIS304 3.7 73.8 1.0
OH 4:TYR451 3.9 54.6 1.0
CG 4:ASP271 4.0 55.3 1.0
CD2 4:HIS244 4.2 58.3 1.0
CD 4:GLU76 4.2 72.6 1.0
O 4:HIS427 4.3 56.4 1.0
OE2 4:GLU76 4.4 70.0 1.0
CG 4:ASP242 4.6 61.7 1.0
OD1 4:ASN303 4.6 66.8 1.0
OD1 4:ASP271 4.7 51.8 1.0
ND1 4:HIS244 4.7 57.0 1.0
ND2 4:ASN303 4.8 65.1 1.0
CZ 4:ARG275 4.8 75.5 1.0
CZ 4:TYR451 4.9 51.1 1.0
CE1 4:HIS304 4.9 74.2 1.0
NE2 4:HIS352 4.9 54.0 1.0
CG 4:HIS304 4.9 71.4 1.0
C 4:HIS427 4.9 54.4 1.0

Reference:

J.Yang, S.M.Roe, M.J.Cliff, M.A.Williams, J.E.Ladbury, P.T.Cohen, D.Barford. Molecular Basis For Tpr Domain-Mediated Regulation of Protein Phosphatase 5 Embo J. V. 24 1 2005.
ISSN: ISSN 0261-4189
PubMed: 15577939
DOI: 10.1038/SJ.EMBOJ.7600496
Page generated: Tue Dec 15 03:57:21 2020

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